Energy barriers and activated dynamics in a supercooled Lennard-Jones liquid
نویسندگان
چکیده
منابع مشابه
Dynamical Heterogeneities in a Supercooled Lennard-Jones Liquid
Walter Kob,1 Claudio Donati,2 Steven J. Plimpton,3 Peter H. Poole,4 and Sharon C. Glotzer2 1Institut für Physik, Johannes Gutenberg-Universität, Staudinger Weg 7, D-55099 Mainz, Germany 2Center for Theoretical and Computational Materials Science, and Polymers Division, National Institute of Standards and Technology, Gaithersburg, Maryland 20899 3Parallel Computational Sciences Department, Sandi...
متن کاملHopping in a supercooled Lennard-Jones liquid: metabasins, waiting time distribution, and diffusion.
We investigate the jump motion among potential energy minima of a Lennard-Jones model glass former by extensive computer simulation. From the time series of minima energies, it becomes clear that the energy landscape is organized in superstructures called metabasins. We show that diffusion can be pictured as a random walk among metabasins, and that the whole temperature dependence resides in th...
متن کاملScaling behavior in the dynamics of a supercooled Lennard-Jones mixture
We present the results of a large scale molecular dynamics computer simulation of a binary, supercooled Lennard-Jones fluid. At low temperatures and intermediate times the time dependence of the intermediate scattering function is well described by a von Schweidler law. The von Schweidler exponent is independent of temperature and depends only weakly on the type of correlator. For long times th...
متن کاملThermodynamic scaling of diffusion in supercooled Lennard-Jones liquids.
The manner in which the intermolecular potential u(r) governs structural relaxation in liquids is a long standing problem in condensed matter physics. Herein, we show, in agreement with recent experimental results, that diffusion coefficients for simulated Lennard-Jones m-6 liquids (8 < or = m < or = 36) in normal and moderately supercooled states are a unique function of the variable rhogamma/...
متن کاملUnderstanding fragility in supercooled Lennard-Jones mixtures. II. Potential energy surface.
The connection between isobaric fragility and the properties of high-order stationary points of the potential energy surface in different supercooled Lennard-Jones mixtures was investigated. The increase of effective activation energies upon supercooling appears to be driven by the increase of average potential energy barriers measured by the energy dependence of the fraction of unstable modes....
متن کاملذخیره در منابع من
با ذخیره ی این منبع در منابع من، دسترسی به آن را برای استفاده های بعدی آسان تر کنید
ژورنال
عنوان ژورنال: Physical Review E
سال: 2003
ISSN: 1063-651X,1095-3787
DOI: 10.1103/physreve.67.031506